V016-9100 Screening compound: ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-4-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V016-9100 Screening compound: ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-4-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V016-9100 Screening compound: ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-4-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9100
ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-4-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V016-9100

Molecular Formula

C25H35N3O6 (C25 H35 N3 O6)

Compound Name

ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-4-(3-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-1-ethyl-4-(3-methoxyphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CC1)CCC1C(OCC)=O)=C(C(c1cc(OC)ccc1)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C25H35N3O6/c1-5-28-20(16-27-13-11-17(12-14-27)23(29)33-6-2)21(24(30)34-7-3)22(26-25(28)31)18-9-8-10-19(15-18)32-4/h8-10,15,17,22H,5-7,11-14,16H2,1-4H3,(H,26,31)/t22-/m1/s1

InChI Key

UWOZSWARTGTLRJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19812304

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.111

Distribution Coefficient, logD

-0.237

Water Solubility, LogSw

-3.16

Polar Surface Area

80.779

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

V016-9100 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V016-9100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9100?
Check Price and Availability of V016-9100, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V016-9100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9100
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V016-9100 available by request